TY - DATA
T1 - Sample simulation files for "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions"
PY - 2023/02/01
AU - Parsa Habibi
AU - Ahmadreza Rahbari
AU - Samuel Blazquez
AU - Carlos Vega
AU - Poulumi Dey
AU - Thijs Vlugt
AU - Othonas A Moultos
UR - https://data.4tu.nl/articles/dataset/Sample_simulation_files_for_A_New_Force_Field_for_OH_for_Computing_Thermodynamic_and_Transport_Properties_of_H_and_O_in_Aqueous_NaOH_and_KOH_Solutions_/21941327/1
DO - 10.4121/21941327.v1
KW - Aqueous Electrolytes
KW - NaOH/KOH
KW - H2 and O2
KW - Molecular Dynamics
KW - Continuous Fractional Component Monte Carlo
KW - Transport Properties
KW - Solubilities
N2 - <p>Sample simulations files used for publication titled  "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions". Please read the README files for more information and refer to the main manuscript for more details: <a href="A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions" target="_blank">https://pubs.acs.org/doi/10.1021/acs.jpcb.2c06381</a></p>
ER -